[(1S,2S)-1-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxy-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(3-bromo-5-chloro-2-methoxy-phenyl)-2-methyl-pentyl]ammonium Formula: C13H20BrClNO+ MolecularWeight: 321.661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C1=CC(=CC(=C1OC)Br)Cl)[NH3+]

Isomeric SMILES

CCC[C@H](C)[C@@H](C1=CC(=CC(=C1OC)Br)Cl)[NH3+]

InChI

InChI=1S/C13H19BrClNO/c1-4-5-8(2)12(16)10-6-9(15)7-11(14)13(10)17-3/h6-8,12H,4-5,16H2,1-3H3/p+1/t8-,12-/m0/s1